Molecule ID: mol14969
SMILES: CCCCC(CC)CNc1ncnc2[nH]ncc12
InChI: InChI=1S/C13H21N5/c1-3-5-6-10(4-2)7-14-12-11-8-17-18-13(11)16-9-15-12/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | OCHEM | 1 » 0 |
| 4.60 | QSARToolbox | 1 » 0 |
| 4.60 | Datawarrior | 1 » 0 |